1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide

C16H33N3O2S — CID 56806275

IUPAC1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCN1CCN(CCCN(C)S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-17-11-13-19(14-12-17)10-6-9-18(2)22(20,21)15-16-7-4-3-5-8-16/h16H,3-15H2,1-2H3
InChIKeyXBCLZCQSTVKTIQ-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.47
Rot. Bonds7

About 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide

1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide (PubChem CID 56806275) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide
PubChem CID56806275
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC Name1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide
SMILESCN1CCN(CCCN(C)S(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-17-11-13-19(14-12-17)10-6-9-18(2)22(20,21)15-16-7-4-3-5-8-16/h16H,3-15H2,1-2H3
InChIKeyXBCLZCQSTVKTIQ-UHFFFAOYSA-N
XLogP1.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide (CID 56806275) is 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide is CN1CCN(CCCN(C)S(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide?
The InChIKey is XBCLZCQSTVKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-17-11-13-19(14-12-17)10-6-9-18(2)22(20,21)15-16-7-4-3-5-8-16/h16H,3-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide?
1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide has a molecular weight of 331.53 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 56806275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).